1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one

C23H27NO2 — CID 25367584

IUPAC1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c1-2-3-14-23(25)24-15-16-26-21(18-24)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2,4-13,21-22H,1,3,14-18H2/t21-/m0/s1
InChIKeyQIWRQVKZPMARQV-NRFANRHFSA-N
MW349.47 g/mol
LogP4.40
Rot. Bonds7

About 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one

1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one (PubChem CID 25367584) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
PubChem CID25367584
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c1-2-3-14-23(25)24-15-16-26-21(18-24)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2,4-13,21-22H,1,3,14-18H2/t21-/m0/s1
InChIKeyQIWRQVKZPMARQV-NRFANRHFSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone
CID 45196089
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 42376886
1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]pent-4-en-1-one
CID 95123093
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
3-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-N,N-dimethylpropanamide
CID 95468828
2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
CID 56862185
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
1-[2-(hydroxymethyl)morpholin-4-yl]-4-phenylsulfanylbutan-1-one
CID 81208853
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one?
The IUPAC name of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one (CID 25367584) is 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one is C=CCCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one?
The InChIKey is QIWRQVKZPMARQV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27NO2/c1-2-3-14-23(25)24-15-16-26-21(18-24)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2,4-13,21-22H,1,3,14-18H2/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one?
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one has a molecular weight of 349.47 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one is sourced from PubChem (CID 25367584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).